2-[[7-ethyl-6-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[[7-ethyl-6-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[7-ethyl-6-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[7-ethyl-6-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[7-ethyl-6-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[7-ethyl-6-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C21H21N7O5S MolecularWeight: 483.50034

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=NC(=N2)NC3=NC(=C(S3)C(=O)O)C)NCC4=CC5=C(C(=C4)OC)OCO5

Isomeric SMILES

CCN1C=NC2=C1C(=NC(=N2)NC3=NC(=C(S3)C(=O)O)C)NCC4=CC5=C(C(=C4)OC)OCO5

InChI

InChI=1S/C21H21N7O5S/c1-4-28-8-23-18-14(28)17(22-7-11-5-12(31-3)15-13(6-11)32-9-33-15)25-20(26-18)27-21-24-10(2)16(34-21)19(29)30/h5-6,8H,4,7,9H2,1-3H3,(H,29,30)(H2,22,24,25,26,27)